N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(1,1-dioxo-3-thiolanyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1,1-diketothiolan-3-yl)propionamide Formula: C18H20ClN3O4S2 MolecularWeight: 441.9521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1CCS(=O)(=O)C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C18H20ClN3O4S2/c1-3-7-22-17(24)14-5-4-12(19)9-15(14)21-18(22)27-11(2)16(23)20-13-6-8-28(25,26)10-13/h3-5,9,11,13H,1,6-8,10H2,2H3,(H,20,23)